General Information of the Compound
| Compound ID |
CP0386214
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| Compound Name |
1-(cyanomethyl)-5-(2-oxochromen-6-yl)pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C16H9N3O2
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| Molecular Weight |
275.267
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| Canonical SMILES |
O=c1ccc2cc(ccc2o1)-c1ccc(C#N)n1CC#N
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| InChI |
InChI=1S/C16H9N3O2/c17-7-8-19-13(10-18)3-4-14(19)11-1-5-15-12(9-11)2-6-16(20)21-15/h1-6,9H,8H2
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| InChIKey |
JHVNCHPEBJKDDS-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound